UPCMLD0ENAT5890153:001
TL;DR: UPCMLD0ENAT5890153:001 (CAS 671200-55-8) is a chemical compound with molecular formula C28H28FN3O2S2 and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: UPCMLD0ENAT5890153:001, F3394-0690, 5-({2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-11-methyl-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C28H28FN3O2S2 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 6.29044 |
| Topological Polar Surface Area | 56.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.1607 |
| Heavy Atoms | 36 |
| Complexity | 1546.0026 |
Chemical Identifiers
| CAS Number | 671200-55-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)CC=C |
Product Overview
UPCMLD0ENAT5890153:001 (CAS 671200-55-8), with molecular formula C28H28FN3O2S2 and molecular weight 521.16 g/mol. IUPAC: 2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-7-methyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of UPCMLD0ENAT5890153:001
Property Insights of UPCMLD0ENAT5890153:001
The XLogP value of 6.29044 indicates that UPCMLD0ENAT5890153:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.89 Ų, UPCMLD0ENAT5890153:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5890153:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5890153:001?
The CAS number of UPCMLD0ENAT5890153:001 is 671200-55-8.
What is the molecular formula of UPCMLD0ENAT5890153:001?
The molecular formula of UPCMLD0ENAT5890153:001 is C28H28FN3O2S2.
What is the molecular weight of UPCMLD0ENAT5890153:001?
The molecular weight of UPCMLD0ENAT5890153:001 is 521.16 g/mol.
Where can I buy UPCMLD0ENAT5890153:001?
You can request a quote for UPCMLD0ENAT5890153:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890153:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890153:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.